SCHEMBL1866537

SCHEMBL1866537

CC(C)(C)OC(=O)N1CCCC(c2cccc(F)c2OCC2CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.57
FEN1 P39748 5/20 0.57
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SCN9A Q15858 1/20 0.47
GPR119 Q8TDV5 3/20 0.44
TRPV3 Q8NET8 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
HPGDS O60760 1/20 0.43
ACKR3 P25106 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 1/20 0.41
KAT7 O95251 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1866539 1.00 ALOX5AP (0.57) ALOX5APFEN1MAPTNPSR1SCN9A
SCHEMBL1869732 0.83 ALOX5AP (0.47) ALOX5APFEN1MAPTSCN9AGPR119
SCHEMBL1869734 0.83 ALOX5AP (0.47) ALOX5APFEN1MAPTSCN9AGPR119
SCHEMBL3323442 0.83 FEN1 (0.56) ALOX5APFEN1SCN9AGPR119ACKR3
SCHEMBL3323433 0.83 FEN1 (0.56) ALOX5APFEN1SCN9AGPR119ACKR3
SCHEMBL3326969 0.82 ALOX5AP (0.57) ALOX5APFEN1SCN9AGPR119ACKR3
SCHEMBL3326965 0.82 ALOX5AP (0.57) ALOX5APFEN1SCN9AGPR119ACKR3
SCHEMBL12631899 0.78 REN (0.46) ALOX5APFEN1
SCHEMBL9996326 0.78 SCN9A (0.59) ALOX5APFEN1SCN9AGPR119ACKR3
SCHEMBL7710276 0.77 HPGDS (0.49) ALOX5APFEN1SCN9AGPR119TRPV3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE ALOX5AP 1785/4885FEN1 1512/4885MAPT 1603/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.